Geometry & MOs

Info

ID:	154338
PubChem CID:	56313754
Reduced:	S2N3O3C20H27 (1)
Stoich.:	A2B3C3D20E27 (1)
Weight, g/mol:	371.159354
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	7.99
IP(EA), eV:	-8.45(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCC3CCN(C3)C(C)C

DOS

IR

Vibrations